Vitas-M small molecule compound
4-({4-[(1Z)-2-cyano-3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}prop-1-en-1-yl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK018525
SMILES N#C/C(=C/c1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1cccc(c1)C(F)(F)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H19F3N2O5 MW 496.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19F3N2O5/c1-35-23-12-17(7-10-22(23)36-15-16-5-8-18(9-6-16)25(33)34)11-19(14-30)24(32)31-21-4-2-3-20(13-21)26(27,28)29/h2-13H,15H2,1H3,(H,31,32)(H,33,34)/b19-11-InChIKey
VNDPPMYZUPEYBD-ODLFYWEKSA-NSynonyms
4((4((1Z)2CYANO3OXO3((3(TRIFLUOROMETHYL)PHENYL)AMINO)PROP1EN1YL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((Z)2cyano3oxo3(3(trifluoromethyl)anilino)prop1enyl)2methoxyphenoxy)methyl)benzoicacid
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(F)(F)F)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC26H19F3N2O5c135231217(71022(23)3615165818(9616)25(33)34)1119(1430)24(32)312142320(1321)26(2728)29h213H15H21H3(H3132)(H3334)b1911
MFCD04126487
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)C(=O)Nc1cccc(c1)C(F)(F)F
STK018525
ZINC000008993729
ZINC8993729
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